In Silico Analysis of 14-Deoxy 11, 12-Didehydro Andrographolide (AGP 2) from Sambiloto (Andrographis paniculata) as Drug Candidate Against SARS-CoV-2

The outbreak of the COVID-19 pandemic in world has urged researchers to develop a vaccine or therapeutic drugs fight this virus. This study aimed assay 14 deoxy-11,12-didehydroandrographolide (AGP 2) ability as an inhibitor 3-chymotrypsin like-protease (3CLPro), Papain-like protease (PLPro), and RNA-dependent RNA-polymerase (RdRp), viral proteins SARS-CoV-2 evaluate it safeness drug candidate. In-silico technique was performed analyze binding interaction, complex stability between protein ligand, drug-likeness properties. ligands were obtained from Protein Data Bank (PDB) PubChem web tools, then using PyRx identify affinity score, PyMoL visualize 3D WebGro tools each complex. A evaluation done SwissADME, pkCSM, Way2drug tools. result showed that score for is; AGP 2-3CLPro (-6.7 kcal/mol), 2- PLPro (-6.4 2-RdRp (-7.0 kcal/mol) where stable form indicating 2. also demonstrates properties 2 are safe use. Additionally, been proved can be developed into with further studies.